4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine

C₉H₁₆N₄ — CID 154327448

About 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine

4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 154327448) has the molecular formula C₉H₁₆N₄ and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
• PubChem CID: 154327448
• Molecular Formula: C₉H₁₆N₄
• Molecular Weight: 180.25 g/mol
• Exact Mass: 180.14
• IUPAC Name: 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
• SMILES: CNC1(C)N=C(N)NC2=C1CCC2
• InChI: InChI=1S/C9H16N4/c1-9(11-2)6-4-3-5-7(6)12-8(10)13-9/h11H,3-5H2,1-2H3,(H3,10,12,13)
• InChIKey: HXNADDWYUABPJP-UHFFFAOYSA-N
• XLogP: 0.28
• TPSA: 62.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.25
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?

The IUPAC name of 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine (CID 154327448) is 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine is CNC1(C)N=C(N)NC2=C1CCC2.

What is the InChIKey of 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?

The InChIKey is HXNADDWYUABPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(11-2)6-4-3-5-7(6)12-8(10)13-9/h11H,3-5H2,1-2H3,(H3,10,12,13).

What are the key properties of 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?

4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 154327448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154327448 — identifiers, structure, computed properties (public domain)

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